Existence of La-site antisite defects in [Formula: see text] ([Formula: see text], Fe, and Co) predicted with many-body diffusion quantum Monte Carlo.

Ichibha, Tom; Saritas, Kayahan; Krogel, Jaron T; Luo, Ye; Kent, Paul R C; Reboredo, Fernando A

Ichibha, Tom; Saritas, Kayahan; Krogel, Jaron T; Luo, Ye; Kent, Paul R C; Reboredo, Fernando A.

Afiliación

Ichibha T; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 USA.
Saritas K; School of Information Science, Japan Advanced Institute of Science and Technology, Asahidai 1-1, Nomi, Ishikawa 923-1292 Japan.
Krogel JT; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 USA.
Luo Y; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 USA.
Kent PRC; Computational Sciences Division, Argonne National Laboratory, Argonne, IL 60439 USA.
Reboredo FA; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 USA.

Sci Rep ; 13(1): 6703, 2023 Apr 25.

Article en En | MEDLINE | ID: mdl-37185382

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Sci Rep Año: 2023 Tipo del documento: Article Pais de publicación: Reino Unido

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